CID 38952

41727-53-1

Structural Information

Molecular Formula
C10H9Cl2NO2
SMILES
C=CCOC1=C(C=C(C=C1Cl)C(=O)N)Cl
InChI
InChI=1S/C10H9Cl2NO2/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h2,4-5H,1,3H2,(H2,13,14)
InChIKey
QAFXHUDHHDQWJD-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00104 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00832 148.4
[M+Na]+ 267.99026 158.7
[M-H]- 243.99376 151.5
[M+NH4]+ 263.03486 167.1
[M+K]+ 283.96420 153.0
[M+H-H2O]+ 227.99830 144.6
[M+HCOO]- 289.99924 163.2
[M+CH3COO]- 304.01489 193.6
[M+Na-2H]- 265.97571 150.7
[M]+ 245.00049 152.0
[M]- 245.00159 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.